%chk=000032258.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032258

0 1
 S    1.971600       1.176400      0.3142000    
 O   -4.505100       1.686100      -1.137100    
 O    5.431200     -0.4534000     -0.3161000    
 O    4.858400       1.599900      0.2083000    
 N   -2.866300     -2.2100000E-02  0.3961000    
 N   -1.585700      -1.828400     -0.1369000    
 N  -0.5242000      0.2578000      0.2776000    
 N    1.235500      -1.247400     -0.2015000    
 N    4.539800      0.4034000     -5.0099999E-02
 C   -3.849600      -1.074000      0.3626000    
 C   -3.015500      -2.249500     -0.1541000    
 C   -3.213300       1.304300      0.8395000    
 C   -1.620200     -0.5490000      0.1662000    
 C   -3.450800       2.222600     -0.3487000    
 C   0.7888000     -5.0799999E-02  0.1115000    
 C    3.192200      2.5500000E-02 -4.2100001E-02
 C    2.613100      -1.201400     -0.2894000    
 H   -4.688700     -0.8548000     -0.3041000    
 H   -4.233700      -1.283300       1.366700    
 H   -3.153200      -3.136600      0.4724000    
 H   -3.297500      -2.507600      -1.180700    
 H   -2.448000       1.722600       1.501600    
 H   -4.134000       1.252100       1.434500    
 H   -2.555800       2.302700     -0.9739000    
 H   -3.739800       3.221600     -8.6000003E-03
 H  -0.7081000       1.233100      0.4961000    
 H   -4.638300       2.292500      -1.885400    
 H    3.147700      -2.108300     -0.5408000    


%chk=000032258-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032258

0 1
S 2.140570 0.464155 -1.428524
O -4.251254 1.794322 0.279867
O 4.706036 0.833777 1.637974
O 4.944371 1.139418 -0.633332
N -2.468471 -0.587888 0.217401
N -2.379164 -1.619332 -1.869134
N -0.534571 -0.284302 -1.331642
N 0.675496 -0.158944 0.766369
N 4.247779 0.837564 0.423058
C -3.774457 -1.321867 0.140875
C -3.708279 -1.992883 -1.279683
C -2.319201 0.577899 1.101503
C -1.798465 -0.840279 -0.972932
C -2.797357 1.904011 0.491824
C 0.580482 -0.053138 -0.567332
C 2.874853 0.487592 0.230830
C 1.950632 0.138002 1.209739
H -4.602479 -0.600238 0.235124
H -3.838515 -2.065931 0.955825
H -3.776471 -3.093111 -1.217221
H -4.516767 -1.645548 -1.948652
H -1.260590 0.665091 1.401064
H -2.904578 0.378037 2.016324
H -2.270701 2.098220 -0.466728
H -2.560923 2.726205 1.201249
H -0.401287 -0.353410 -2.345944
H -4.594211 2.620657 -0.142573
H 2.188024 0.085921 2.272471


